IJC Exercice: Database for Ionic liquids Structure Formula CationID

IJC Exercice: Database for Ionic liquids
C. Muller, G. Marcou, A. Varnek
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General Schema.
Anions
Table
Ionic_liquids
Table
ID
CationID
AnionID
…
Structure
Formula
CationID
…
Cations
Table
Structure
Formula
AnionID
…
Red arrows represent relationships between tables.
 Ionic_liquids Table
ID
1
2
3
7
202
369
370
465
824
825
827
CationID AnionID
1
1
2
1
3
1
6
2
6
3
5
3
5
1
4
2
8
1
8
3
8
2
cation
Bz-COOC2H4N(CH3)3
Me2NBz(C2H4OH)
Me2N(C2H4Br)(C2H4OH)
N-butyl-4 picolinium
4-methyl-N butyl pyridinium
1-butylpyridinium
1-butylpyridinium
(butyl)3methylN
C4-mim
C4-mim
C4-mim
anion Viscosity T_Viscosity date
Tf2N
25
6570,00
01/01/2007
Tf2N
25
762,00
01/01/2007
Tf2N
25
626,00
01/01/2007
PF6
45
140,00
01/01/2007
BF4
40
80,85
01/01/2007
BF4
01/01/2007
Tf2N
01/01/2007
PF6
01/01/2007
Tf2N
05/01/2009
BF4
30
75,00
05/01/2009
PF6
30
182,00
05/01/2009
 Anions Table
Structure
Mol Weight Formula
AnionID ShortName LongName
280,15
C2F6NO4S2
1
Tf2N
bis(trifluoromethylsulfonyl)a
zanide
144,96
F6P
2
PF6
hexafluorophosphate
86,81
BF4
3
BF4
tetrafluoroborate
 Cations Table
Structure
Mol Weight
Formula
CationID
ShortName
LongName
208,28
C12H18NO2
1
Bz-COOC2H4N(CH3)3
2benzoyloxyethyl(trimet
hyl)ammonium
180,27
C11H18NO
2
Me2NBz(C2H4OH)
benzyl(2hydroxyethyl)dimethyla
mmonium
197,09
C6H15BrNO
3
200,38
C13H30N
4
MeBu3N
(1-methyl)(1,1,1tributyl)ammonium
136,21
C9H14N
5
N-butyl pyridinium
1-butyl-pyridin-1-ium
150,24
C10H16N
6
N-butyl-4 picolinium
1-butyl-4-methylpyridin1-ium
139,22
C8H15N2
8
Bumim
1-butyl-3-methyl-1Himidazol-3-ium
(2-bromoethyl)(2Me2N(C2H4Br)(C2H4OH) hydroxyethyl)dimethyla
mmonium